data_global
_chemical_name_mineral 'Fayalite'
loop_
_publ_author_name
'Hazen R M'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 286
_journal_page_last 295
_publ_section_title
;
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
 T = -196 deg C, P = 1 atm
;
_database_code_amcsd 0000565
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe2 Si O4'
_cell_length_a 4.814
_cell_length_b 10.448
_cell_length_c 6.076
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 305.603
_exptl_crystal_density_diffrn      4.429
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.00000   0.00000   0.00000
Fe2   0.98610   0.27990   0.25000
Si   0.43130   0.09710   0.25000
O1   0.76840   0.09050   0.25000
O2   0.20750   0.45470   0.25000
O3   0.28750   0.16460   0.03590
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe1 0.00129 0.00498 0.00879 0.00025 -0.00030 -0.00064
Fe2 0.00211 0.00442 0.00860 0.00000 0.00000 0.00000
Si 0.00141 0.00442 0.01141 0.00127 0.00000 0.00000
O1 0.00047 0.00774 0.01665 0.00255 0.00000 0.00000
O2 0.00188 0.00719 0.01608 0.00178 0.00000 0.00000
O3 0.00423 0.00664 0.01328 -0.00051 0.00163 -0.00096